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Recent progress in first-principles studies of magnetoelectric multiferroics
Claude Ederer, Nicola A. Spaldin
Materials that combine magnetic and ferroelectric properties have generated increasing interest over the last few years, due to both their diverse properties and their potential ut…
First principles study of the multiferroics BiFeO, BiFeCrO, and BiCrO: Structure, polarization, and magnetic ordering temperature
Pio Baettig, Claude Ederer, Nicola A. Spaldin
We present results of an {\it ab initio} density functional theory study of three bismuth-based multiferroics, BiFeO, BiFeCrO, and BiCrO. We disuss differen…
Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics
Claude Ederer, Nicola A. Spaldin
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO, PbTiO, LiNbO, and BiFeO using first principles calculati…
Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite
Claude Ederer, Nicola A. Spaldin
The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, ar…